N-[4-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide

Systemtic Name: N-[4-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide Openeye Name: N-[4-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide CAS Name: N-[4-[[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]phenyl]methanesulfonamide IUPAC Name: N-[4-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide Traditional Name: N-[4-[[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]phenyl]methanesulfonamide Formula: C20H20N6O3S2 MolecularWeight: 456.5412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC=C3OC)SC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC=C3OC)SC4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C20H20N6O3S2/c1-12-11-17(25-24-12)21-19-15-5-4-6-16(29-2)18(15)22-20(23-19)30-14-9-7-13(8-10-14)26-31(3,27)28/h4-11,26H,1-3H3,(H2,21,22,23,24,25)